Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9145384

CCCC(=O)N[Ti+2]NC(=O)CCC.CCCC(=O)N[Ti+2]NC(=O)CCC.CCCC(=O)N[Ti+2]NC(=O)CCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CTSD P07339 1/20 0.50
TP53 P04637 1/20 0.43
CASP2 P42575 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FFAR3 O14843 3/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9148420 0.83 HSP90AA1 (0.56) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10431017 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9142802 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9148686 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10430758 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10430870 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9144976 0.81 HSP90AA1 (0.59) CES2CES1TSHRMEN1KMT2A
SCHEMBL1643947 0.71 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6634673 0.71 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL7640871 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378778-A Liquid catalyst component, catalyst system containing the same, and process for producing ethylene-α-olefin copolymers using the catalyst system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0395075-B1 Liquid catalyst component, catalyst system containing the same, and process for producing ethylene-alpha-olefin copolymers using the catalyst system SUMITOMO CHEMICAL CO (JP) 1994-08-24 EP disclosed
EP-0395075-A2 Liquid catalyst component, catalyst system containing the same, and process for producing ethylene-alpha-olefin copolymers using the catalyst system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed